; TIMESTEP IN MARTINI 
integrator               = md
tinit                    = 0.0
dt                       = 0.02 	; 20 fs timestep
nsteps                   = 50000
nstcomm                  = 1
comm-grps		 = 
nstxout                  = 5000
nstvout                  = 5000
nstfout                  = 5000
nstlog                   = 500
nstenergy                = 500
nstxtcout                = 5000
xtc_precision            = 1000
xtc-grps                 = 
energygrps               = Protein POPC_CHOL PW 
; NEIGHBOURLIST and MARTINI 
nstlist                  = 10
ns_type                  = grid
pbc                      = xyz
rlist                    = 1.2 
; MARTINI and NONBONDED 
coulombtype              = PME  ; PME can also be used with the polarizable model
fourierspacing           = 0.12
rcoulomb                 = 1.2 
epsilon_r                = 2.5 ; instead of 15
vdw_type                 = Shift 
rvdw_switch              = 0.9
rvdw                     = 1.2
DispCorr                 = No
; MARTINI and TEMPRATURE/PRESSURE
tcoupl                   = berendsen
tc-grps                  = Protein POPC_CHOL PW_CL- 
tau-t        		 = 1.0 1.0 1.0
ref-t                    = 300 300 300 
Pcoupl                   = berendsen 
Pcoupltype               = semiisotropic
tau_p                    = 1.0 1.0 
compressibility          = 3e-4 3e-4  
ref_p                    = 1.0  1.0  
; MARTINI and VELOCITIES
gen_vel = yes
gen_temp = 300
gen_seed = -1
; MARTINI and CONSTRAINTS 
refcoord_scaling =  all
constraints              = none 
constraint_algorithm     = Lincs
unconstrained_start      = no
lincs_order              = 4
lincs_warnangle          = 30